Basic information
- CAS
1247-97-8- Standard SMILES
COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1- InChIKey
ALGDHWVALRSLBT-UHFFFAOYSA-N- Molecular formula
- C20H20O7
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.12090297
Overview
Pentamethoxyquercetin has been reported in Melicope triphylla, Kaempferia parviflora, and other organisms with data available.
Names & identifiers
- Preferred name
- Pentamethylquercetin
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
- English name
- QUERCETIN-3,5,7,3',4'-PENTAMETHYL ETHER
- Molecular formula
- C20H20O7
- Molecular weight
- 372.37
Names & synonyms
Quercetin pentamethyl etherPentamethylquercetin2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-oneNSC-115922V6J41K636ONSC-618936TUM-8437RefChem:10944771247-97-8Pentamethoxyquercetin3,5,7,3',4'-pentamethoxyflavoneQuercetin-3,5,7,3',4'-pentamethyl ether
Show more names
QUERCETIN-3,5,7,3',4'QUERCETINPENTAMETHYLETHERRutoside Trihydrate Impurity 5QUERCETIN-3,7-DIMETHYLETHER(RG)
Penta-O-methylquercitinQuercetin-3,5,7,3',4'-pentamethylether3,3',4',5,7-Pentamethoxyflavone2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-4H-chromen-4-oneMFCD010046074H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxy-Quercetin 3,5,7,3,4-pentamethyl etherCHEMBL19032
Database identifiers
- CAS
1247-97-8- PubChem CID
- 97332
- DTXSID
DTXSID10154467- ChEMBL
CHEMBL19032、CHEMBL2075026
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
LogP3.85
Physicochemical properties
- Melting point
- 152 · 152-156°C
- Boiling point
- 561.9 · 561.9±50.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- form
- Solid
- color
- White to light brown
- LogP
- 2.37 · 2.370 (est)
- FDA UNII
- 6 J41K636O · V6J41K636O
Chemistry & industry
Applications
Uses3,5,7,3’,4’-Pentamethoxyflavone is a Ca2+ channel inhibitor. 3,5,7,3’,4’-Pentamethoxyflavone can protect DNA from oxidative damage. 3,5,7,3’,4’-Pentamethoxyflavone can induce relaxation of the human corpus cavernosum through calcium mobilization-related mechanisms. 3,5,7,3’,4’-Pentamethoxyflavone can promote the expression of eNOS and cystathionine gamma lyase CSE proteins in middle-aged male rats and regulate vascular function. 3,5,7,3’,4’-Pentamethoxyflavone can be used in research related to diabetes and cardiovascular diseases[1][2][4].
Upstream & downstream products
Downstream products
Suppliers59 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
武汉众志诚生物技术有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…